USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 750 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 75 MET CE :methyl 144:sc= -0.473 (180deg=-3.43!) USER MOD Set 2.1: A 26 SER OG : rot -29:sc= 0.339 USER MOD Set 2.2: A 29 THR OG1 : rot 36:sc= 1.38 USER MOD Set 3.1: A 22 THR OG1 : rot -47:sc= 1.09 USER MOD Set 3.2: A 25 THR OG1 : rot -150:sc= 0.74 USER MOD Set 4.1: A 13 MET CE :methyl -176:sc= -0.2 (180deg=-0.307) USER MOD Set 4.2: A 63 HIS : no HD1:sc= -1.76 X(o=-2,f=-1.6) USER MOD Single : A 3 TYR OH : rot 0:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 156:sc= 0.689 (180deg=0.208) USER MOD Single : A 20 ASN :FLIP amide:sc= -1.99! C(o=-2.5!,f=-2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0.00105 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0228 USER MOD Single : A 51 THR OG1 : rot -56:sc= 0.0815 USER MOD Single : A 52 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0724) USER MOD Single : A 54 SER OG : rot -54:sc= 0.18 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl -152:sc= -0.0851 (180deg=-0.984) USER MOD Single : A 88 GLN : amide:sc= -0.116 K(o=-0.12,f=-2) USER MOD Single : A 89 MET CE :methyl 144:sc= -0.0572 (180deg=-0.735) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N TYR A 3 -5.383 15.931 4.228 1.00 0.00 N ATOM 30 CA TYR A 3 -6.037 14.696 3.814 1.00 0.00 C ATOM 31 C TYR A 3 -7.551 14.882 3.789 1.00 0.00 C ATOM 32 O TYR A 3 -8.058 15.931 4.188 1.00 0.00 O ATOM 33 CB TYR A 3 -5.653 13.567 4.778 1.00 0.00 C ATOM 34 CG TYR A 3 -4.160 13.345 4.869 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.396 14.072 5.795 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.536 12.424 4.016 1.00 0.00 C ATOM 37 CE1 TYR A 3 -2.006 13.908 5.844 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.148 12.239 4.068 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.374 12.999 4.968 1.00 0.00 C ATOM 40 OH TYR A 3 -0.019 12.863 4.996 1.00 0.00 O ATOM 0 HA TYR A 3 -5.708 14.435 2.808 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -6.041 13.797 5.770 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.132 12.643 4.455 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.881 14.760 6.472 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.128 11.854 3.315 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.419 14.476 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.673 11.517 3.421 1.00 0.00 H new ATOM 0 HH TYR A 3 0.356 13.464 5.673 1.00 0.00 H new ATOM 50 N GLY A 4 -8.281 13.867 3.321 1.00 0.00 N ATOM 51 CA GLY A 4 -9.728 13.953 3.240 1.00 0.00 C ATOM 52 C GLY A 4 -10.373 12.588 3.035 1.00 0.00 C ATOM 53 O GLY A 4 -9.696 11.610 2.724 1.00 0.00 O ATOM 0 H GLY A 4 -7.890 12.983 2.996 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.116 14.403 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.006 14.612 2.417 1.00 0.00 H new ATOM 57 N ARG A 5 -11.697 12.541 3.212 1.00 0.00 N ATOM 58 CA ARG A 5 -12.489 11.332 3.065 1.00 0.00 C ATOM 59 C ARG A 5 -12.355 10.761 1.651 1.00 0.00 C ATOM 60 O ARG A 5 -12.131 11.509 0.697 1.00 0.00 O ATOM 61 CB ARG A 5 -13.949 11.645 3.412 1.00 0.00 C ATOM 62 CG ARG A 5 -14.545 12.668 2.439 1.00 0.00 C ATOM 63 CD ARG A 5 -15.894 13.177 2.945 1.00 0.00 C ATOM 64 NE ARG A 5 -16.902 12.113 2.989 1.00 0.00 N ATOM 65 CZ ARG A 5 -17.972 12.134 3.785 1.00 0.00 C ATOM 66 NH1 ARG A 5 -18.193 13.155 4.609 1.00 0.00 N ATOM 67 NH2 ARG A 5 -18.835 11.125 3.760 1.00 0.00 N ATOM 0 H ARG A 5 -12.251 13.359 3.465 1.00 0.00 H new ATOM 0 HA ARG A 5 -12.121 10.569 3.751 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.537 10.727 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.009 12.030 4.430 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.857 13.505 2.318 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.668 12.213 1.456 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.771 13.601 3.942 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -16.244 13.981 2.298 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.777 11.309 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.539 13.937 4.638 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.016 13.155 5.211 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -18.679 10.336 3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -19.654 11.139 4.368 1.00 0.00 H new ATOM 81 N PRO A 6 -12.495 9.438 1.519 1.00 0.00 N ATOM 82 CA PRO A 6 -12.465 8.720 0.253 1.00 0.00 C ATOM 83 C PRO A 6 -13.453 9.283 -0.768 1.00 0.00 C ATOM 84 O PRO A 6 -14.448 9.903 -0.387 1.00 0.00 O ATOM 85 CB PRO A 6 -12.841 7.279 0.605 1.00 0.00 C ATOM 86 CG PRO A 6 -12.419 7.147 2.064 1.00 0.00 C ATOM 87 CD PRO A 6 -12.690 8.535 2.630 1.00 0.00 C ATOM 0 HA PRO A 6 -11.483 8.806 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -13.909 7.101 0.478 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.320 6.562 -0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.995 6.381 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -11.368 6.872 2.156 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.703 8.609 3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.010 8.766 3.450 1.00 0.00 H new ATOM 95 N PRO A 7 -13.201 9.075 -2.066 1.00 0.00 N ATOM 96 CA PRO A 7 -14.107 9.476 -3.129 1.00 0.00 C ATOM 97 C PRO A 7 -15.351 8.580 -3.126 1.00 0.00 C ATOM 98 O PRO A 7 -15.318 7.470 -2.595 1.00 0.00 O ATOM 99 CB PRO A 7 -13.292 9.340 -4.414 1.00 0.00 C ATOM 100 CG PRO A 7 -12.295 8.229 -4.091 1.00 0.00 C ATOM 101 CD PRO A 7 -12.012 8.441 -2.603 1.00 0.00 C ATOM 0 HA PRO A 7 -14.478 10.495 -3.014 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -13.923 9.078 -5.263 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.786 10.271 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.714 7.242 -4.285 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.388 8.314 -4.690 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.813 7.493 -2.103 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -11.133 9.069 -2.457 1.00 0.00 H new ATOM 109 N PRO A 8 -16.457 9.051 -3.718 1.00 0.00 N ATOM 110 CA PRO A 8 -17.751 8.388 -3.704 1.00 0.00 C ATOM 111 C PRO A 8 -17.845 7.201 -4.663 1.00 0.00 C ATOM 112 O PRO A 8 -18.949 6.815 -5.047 1.00 0.00 O ATOM 113 CB PRO A 8 -18.744 9.483 -4.090 1.00 0.00 C ATOM 114 CG PRO A 8 -17.930 10.351 -5.044 1.00 0.00 C ATOM 115 CD PRO A 8 -16.535 10.312 -4.426 1.00 0.00 C ATOM 0 HA PRO A 8 -17.948 7.952 -2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -19.632 9.073 -4.572 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -19.085 10.046 -3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -17.935 9.952 -6.058 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -18.320 11.367 -5.099 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -15.764 10.379 -5.194 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.383 11.152 -3.748 1.00 0.00 H new ATOM 123 N ASP A 9 -16.713 6.613 -5.060 1.00 0.00 N ATOM 124 CA ASP A 9 -16.717 5.551 -6.056 1.00 0.00 C ATOM 125 C ASP A 9 -15.775 4.405 -5.692 1.00 0.00 C ATOM 126 O ASP A 9 -15.531 3.524 -6.514 1.00 0.00 O ATOM 127 CB ASP A 9 -16.388 6.151 -7.421 1.00 0.00 C ATOM 128 CG ASP A 9 -14.931 6.603 -7.555 1.00 0.00 C ATOM 129 OD1 ASP A 9 -14.280 6.829 -6.510 1.00 0.00 O ATOM 130 OD2 ASP A 9 -14.480 6.721 -8.715 1.00 0.00 O ATOM 0 H ASP A 9 -15.788 6.857 -4.706 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.712 5.108 -6.090 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.604 5.414 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.043 7.004 -7.601 1.00 0.00 H new ATOM 135 N VAL A 10 -15.240 4.401 -4.467 1.00 0.00 N ATOM 136 CA VAL A 10 -14.379 3.313 -4.007 1.00 0.00 C ATOM 137 C VAL A 10 -15.135 1.985 -3.964 1.00 0.00 C ATOM 138 O VAL A 10 -14.519 0.930 -3.850 1.00 0.00 O ATOM 139 CB VAL A 10 -13.789 3.617 -2.629 1.00 0.00 C ATOM 140 CG1 VAL A 10 -12.898 4.857 -2.699 1.00 0.00 C ATOM 141 CG2 VAL A 10 -14.882 3.841 -1.580 1.00 0.00 C ATOM 0 H VAL A 10 -15.389 5.139 -3.779 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.564 3.226 -4.725 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.199 2.751 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.484 5.064 -1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.086 4.682 -3.404 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.489 5.711 -3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.422 4.054 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.506 4.684 -1.879 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.497 2.945 -1.499 1.00 0.00 H new ATOM 151 N GLU A 11 -16.469 2.027 -4.055 1.00 0.00 N ATOM 152 CA GLU A 11 -17.314 0.837 -4.040 1.00 0.00 C ATOM 153 C GLU A 11 -17.307 0.125 -5.396 1.00 0.00 C ATOM 154 O GLU A 11 -18.031 -0.852 -5.590 1.00 0.00 O ATOM 155 CB GLU A 11 -18.747 1.246 -3.684 1.00 0.00 C ATOM 156 CG GLU A 11 -18.757 1.990 -2.347 1.00 0.00 C ATOM 157 CD GLU A 11 -20.181 2.340 -1.929 1.00 0.00 C ATOM 158 OE1 GLU A 11 -20.654 3.427 -2.332 1.00 0.00 O ATOM 159 OE2 GLU A 11 -20.794 1.520 -1.208 1.00 0.00 O ATOM 0 H GLU A 11 -16.993 2.898 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.920 0.145 -3.296 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.159 1.882 -4.468 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.383 0.363 -3.624 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.290 1.373 -1.580 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -18.164 2.901 -2.429 1.00 0.00 H new ATOM 166 N GLY A 12 -16.490 0.612 -6.333 1.00 0.00 N ATOM 167 CA GLY A 12 -16.416 0.071 -7.684 1.00 0.00 C ATOM 168 C GLY A 12 -14.981 0.024 -8.205 1.00 0.00 C ATOM 169 O GLY A 12 -14.770 0.051 -9.416 1.00 0.00 O ATOM 0 H GLY A 12 -15.859 1.397 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -16.839 -0.934 -7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.024 0.681 -8.352 1.00 0.00 H new ATOM 173 N MET A 13 -13.998 -0.042 -7.303 1.00 0.00 N ATOM 174 CA MET A 13 -12.587 -0.096 -7.671 1.00 0.00 C ATOM 175 C MET A 13 -11.824 -1.064 -6.765 1.00 0.00 C ATOM 176 O MET A 13 -12.370 -1.569 -5.785 1.00 0.00 O ATOM 177 CB MET A 13 -11.961 1.300 -7.573 1.00 0.00 C ATOM 178 CG MET A 13 -12.622 2.287 -8.537 1.00 0.00 C ATOM 179 SD MET A 13 -11.789 3.890 -8.634 1.00 0.00 S ATOM 180 CE MET A 13 -11.938 4.432 -6.908 1.00 0.00 C ATOM 0 H MET A 13 -14.162 -0.059 -6.296 1.00 0.00 H new ATOM 0 HA MET A 13 -12.519 -0.452 -8.699 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.056 1.670 -6.552 1.00 0.00 H new ATOM 0 HB3 MET A 13 -10.895 1.237 -7.792 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.651 1.843 -9.532 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.655 2.444 -8.228 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.536 5.440 -6.807 1.00 0.00 H new ATOM 0 HE2 MET A 13 -12.988 4.429 -6.615 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.380 3.753 -6.264 1.00 0.00 H new ATOM 190 N THR A 14 -10.554 -1.313 -7.099 1.00 0.00 N ATOM 191 CA THR A 14 -9.664 -2.161 -6.313 1.00 0.00 C ATOM 192 C THR A 14 -9.401 -1.499 -4.956 1.00 0.00 C ATOM 193 O THR A 14 -9.751 -0.335 -4.756 1.00 0.00 O ATOM 194 CB THR A 14 -8.361 -2.382 -7.093 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.660 -2.874 -8.379 1.00 0.00 O ATOM 196 CG2 THR A 14 -7.427 -3.392 -6.428 1.00 0.00 C ATOM 0 H THR A 14 -10.114 -0.925 -7.933 1.00 0.00 H new ATOM 0 HA THR A 14 -10.123 -3.133 -6.132 1.00 0.00 H new ATOM 0 HB THR A 14 -7.859 -1.415 -7.127 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.828 -3.013 -8.878 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.524 -3.503 -7.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.159 -3.039 -5.432 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.931 -4.355 -6.348 1.00 0.00 H new ATOM 203 N SER A 15 -8.787 -2.228 -4.023 1.00 0.00 N ATOM 204 CA SER A 15 -8.419 -1.696 -2.722 1.00 0.00 C ATOM 205 C SER A 15 -7.222 -2.466 -2.178 1.00 0.00 C ATOM 206 O SER A 15 -7.267 -3.692 -2.083 1.00 0.00 O ATOM 207 CB SER A 15 -9.612 -1.827 -1.776 1.00 0.00 C ATOM 208 OG SER A 15 -9.287 -1.269 -0.525 1.00 0.00 O ATOM 0 H SER A 15 -8.533 -3.207 -4.155 1.00 0.00 H new ATOM 0 HA SER A 15 -8.146 -0.644 -2.811 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.480 -1.320 -2.197 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.882 -2.876 -1.658 1.00 0.00 H new ATOM 0 HG SER A 15 -10.054 -1.352 0.080 1.00 0.00 H new ATOM 214 N LEU A 16 -6.153 -1.746 -1.826 1.00 0.00 N ATOM 215 CA LEU A 16 -4.940 -2.362 -1.303 1.00 0.00 C ATOM 216 C LEU A 16 -4.419 -1.622 -0.077 1.00 0.00 C ATOM 217 O LEU A 16 -3.746 -0.602 -0.219 1.00 0.00 O ATOM 218 CB LEU A 16 -3.871 -2.369 -2.401 1.00 0.00 C ATOM 219 CG LEU A 16 -2.634 -3.155 -1.947 1.00 0.00 C ATOM 220 CD1 LEU A 16 -2.829 -4.641 -2.242 1.00 0.00 C ATOM 221 CD2 LEU A 16 -1.405 -2.673 -2.705 1.00 0.00 C ATOM 0 H LEU A 16 -6.108 -0.729 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.174 -3.382 -0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.278 -2.814 -3.309 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.588 -1.345 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.497 -2.999 -0.877 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.948 -5.195 -1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.705 -5.006 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.973 -4.783 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.531 -3.236 -2.377 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.554 -2.825 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.248 -1.613 -2.508 1.00 0.00 H new ATOM 233 N LYS A 17 -4.738 -2.140 1.115 1.00 0.00 N ATOM 234 CA LYS A 17 -4.265 -1.605 2.387 1.00 0.00 C ATOM 235 C LYS A 17 -2.748 -1.720 2.506 1.00 0.00 C ATOM 236 O LYS A 17 -2.151 -2.647 1.967 1.00 0.00 O ATOM 237 CB LYS A 17 -4.969 -2.339 3.531 1.00 0.00 C ATOM 238 CG LYS A 17 -4.350 -2.120 4.913 1.00 0.00 C ATOM 239 CD LYS A 17 -5.309 -2.721 5.939 1.00 0.00 C ATOM 240 CE LYS A 17 -4.782 -2.636 7.369 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.642 -1.243 7.833 1.00 0.00 N ATOM 0 H LYS A 17 -5.342 -2.955 1.219 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.507 -0.544 2.441 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.011 -2.021 3.561 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.968 -3.407 3.313 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.372 -2.596 4.976 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.200 -1.057 5.103 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.267 -2.204 5.879 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.494 -3.765 5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.458 -3.172 8.035 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.815 -3.135 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.684 -1.217 8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.729 -0.861 7.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.415 -0.667 7.441 1.00 0.00 H new ATOM 255 N VAL A 18 -2.145 -0.771 3.221 1.00 0.00 N ATOM 256 CA VAL A 18 -0.725 -0.769 3.555 1.00 0.00 C ATOM 257 C VAL A 18 -0.603 -0.438 5.036 1.00 0.00 C ATOM 258 O VAL A 18 -1.256 0.501 5.492 1.00 0.00 O ATOM 259 CB VAL A 18 -0.013 0.306 2.738 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.444 0.427 3.166 1.00 0.00 C ATOM 261 CG2 VAL A 18 -0.078 0.026 1.237 1.00 0.00 C ATOM 0 H VAL A 18 -2.645 0.037 3.592 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.276 -1.738 3.335 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.533 1.245 2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.935 1.198 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.492 0.696 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.949 -0.526 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.442 0.817 0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.398 -0.932 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.120 -0.008 0.918 1.00 0.00 H new ATOM 271 N ASP A 19 0.221 -1.202 5.766 1.00 0.00 N ATOM 272 CA ASP A 19 0.299 -1.144 7.219 1.00 0.00 C ATOM 273 C ASP A 19 1.662 -1.612 7.739 1.00 0.00 C ATOM 274 O ASP A 19 2.592 -1.825 6.963 1.00 0.00 O ATOM 275 CB ASP A 19 -0.817 -2.024 7.800 1.00 0.00 C ATOM 276 CG ASP A 19 -0.637 -3.500 7.456 1.00 0.00 C ATOM 277 OD1 ASP A 19 -0.930 -3.869 6.298 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.206 -4.247 8.360 1.00 0.00 O ATOM 0 H ASP A 19 0.857 -1.884 5.352 1.00 0.00 H new ATOM 0 HA ASP A 19 0.176 -0.108 7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.840 -1.907 8.883 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.780 -1.681 7.422 1.00 0.00 H new ATOM 283 N ASN A 20 1.757 -1.772 9.064 1.00 0.00 N ATOM 284 CA ASN A 20 2.954 -2.188 9.776 1.00 0.00 C ATOM 285 C ASN A 20 4.134 -1.245 9.527 1.00 0.00 C ATOM 286 O ASN A 20 4.934 -1.464 8.619 1.00 0.00 O ATOM 287 CB ASN A 20 3.286 -3.649 9.437 1.00 0.00 C ATOM 288 CG ASN A 20 3.772 -4.409 10.659 1.00 0.00 C ATOM 289 OD1 ASN A 20 5.021 -4.868 10.634 1.00 0.00 O flip ATOM 290 ND2 ASN A 20 3.030 -4.580 11.623 1.00 0.00 N flip ATOM 0 H ASN A 20 0.967 -1.607 9.687 1.00 0.00 H new ATOM 0 HA ASN A 20 2.754 -2.128 10.846 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.401 -4.139 9.031 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.051 -3.678 8.661 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.078 -4.213 11.606 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.366 -5.089 12.441 1.00 0.00 H new ATOM 297 N LEU A 21 4.248 -0.186 10.335 1.00 0.00 N ATOM 298 CA LEU A 21 5.345 0.771 10.223 1.00 0.00 C ATOM 299 C LEU A 21 5.859 1.207 11.597 1.00 0.00 C ATOM 300 O LEU A 21 5.277 0.854 12.622 1.00 0.00 O ATOM 301 CB LEU A 21 4.906 1.956 9.351 1.00 0.00 C ATOM 302 CG LEU A 21 3.543 2.546 9.726 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.513 3.216 11.090 1.00 0.00 C ATOM 304 CD2 LEU A 21 3.160 3.592 8.691 1.00 0.00 C ATOM 0 H LEU A 21 3.585 0.028 11.080 1.00 0.00 H new ATOM 0 HA LEU A 21 6.190 0.288 9.733 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.659 2.741 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.875 1.634 8.310 1.00 0.00 H new ATOM 0 HG LEU A 21 2.846 1.708 9.758 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.514 3.608 11.281 1.00 0.00 H new ATOM 0 HD12 LEU A 21 3.770 2.488 11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.233 4.034 11.110 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.191 4.020 8.947 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.912 4.381 8.676 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.102 3.126 7.707 1.00 0.00 H new ATOM 316 N THR A 22 6.955 1.973 11.626 1.00 0.00 N ATOM 317 CA THR A 22 7.575 2.403 12.880 1.00 0.00 C ATOM 318 C THR A 22 6.807 3.546 13.524 1.00 0.00 C ATOM 319 O THR A 22 5.905 4.129 12.924 1.00 0.00 O ATOM 320 CB THR A 22 9.012 2.872 12.646 1.00 0.00 C ATOM 321 OG1 THR A 22 9.019 4.078 11.920 1.00 0.00 O ATOM 322 CG2 THR A 22 9.842 1.827 11.915 1.00 0.00 C ATOM 0 H THR A 22 7.432 2.309 10.789 1.00 0.00 H new ATOM 0 HA THR A 22 7.563 1.538 13.543 1.00 0.00 H new ATOM 0 HB THR A 22 9.464 3.031 13.625 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.413 4.002 11.153 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.855 2.203 11.771 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.875 0.911 12.505 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.391 1.617 10.945 1.00 0.00 H new ATOM 329 N TYR A 23 7.170 3.872 14.766 1.00 0.00 N ATOM 330 CA TYR A 23 6.608 5.017 15.460 1.00 0.00 C ATOM 331 C TYR A 23 7.198 6.331 14.933 1.00 0.00 C ATOM 332 O TYR A 23 6.948 7.384 15.522 1.00 0.00 O ATOM 333 CB TYR A 23 6.825 4.859 16.967 1.00 0.00 C ATOM 334 CG TYR A 23 8.269 4.788 17.404 1.00 0.00 C ATOM 335 CD1 TYR A 23 9.009 5.963 17.591 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.869 3.539 17.634 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.348 5.900 18.001 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.204 3.464 18.058 1.00 0.00 C ATOM 339 CZ TYR A 23 10.948 4.647 18.246 1.00 0.00 C ATOM 340 OH TYR A 23 12.246 4.577 18.656 1.00 0.00 O ATOM 0 H TYR A 23 7.857 3.350 15.310 1.00 0.00 H new ATOM 0 HA TYR A 23 5.536 5.058 15.269 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.349 5.697 17.476 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.317 3.953 17.298 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.545 6.923 17.418 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.300 2.633 17.484 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.919 6.808 18.129 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.661 2.502 18.240 1.00 0.00 H new ATOM 0 HH TYR A 23 12.500 3.639 18.779 1.00 0.00 H new ATOM 350 N ARG A 24 7.975 6.283 13.838 1.00 0.00 N ATOM 351 CA ARG A 24 8.558 7.478 13.242 1.00 0.00 C ATOM 352 C ARG A 24 7.996 7.727 11.844 1.00 0.00 C ATOM 353 O ARG A 24 8.085 8.845 11.339 1.00 0.00 O ATOM 354 CB ARG A 24 10.082 7.358 13.126 1.00 0.00 C ATOM 355 CG ARG A 24 10.810 6.905 14.395 1.00 0.00 C ATOM 356 CD ARG A 24 10.799 5.382 14.516 1.00 0.00 C ATOM 357 NE ARG A 24 11.873 4.917 15.401 1.00 0.00 N ATOM 358 CZ ARG A 24 12.845 4.073 15.042 1.00 0.00 C ATOM 359 NH1 ARG A 24 12.897 3.567 13.816 1.00 0.00 N ATOM 360 NH2 ARG A 24 13.779 3.726 15.920 1.00 0.00 N ATOM 0 H ARG A 24 8.210 5.418 13.351 1.00 0.00 H new ATOM 0 HA ARG A 24 8.303 8.309 13.900 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.313 6.655 12.326 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.483 8.326 12.825 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.839 7.265 14.377 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.333 7.347 15.270 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.835 5.051 14.903 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.917 4.934 13.529 1.00 0.00 H new ATOM 0 HE ARG A 24 11.878 5.263 16.360 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.187 3.821 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.647 2.924 13.561 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.754 4.104 16.867 1.00 0.00 H new ATOM 0 HH22 ARG A 24 14.521 3.082 15.647 1.00 0.00 H new ATOM 374 N THR A 25 7.427 6.696 11.215 1.00 0.00 N ATOM 375 CA THR A 25 6.819 6.822 9.892 1.00 0.00 C ATOM 376 C THR A 25 5.606 7.754 9.973 1.00 0.00 C ATOM 377 O THR A 25 5.079 8.001 11.057 1.00 0.00 O ATOM 378 CB THR A 25 6.450 5.433 9.363 1.00 0.00 C ATOM 379 OG1 THR A 25 7.531 4.547 9.571 1.00 0.00 O ATOM 380 CG2 THR A 25 6.151 5.471 7.866 1.00 0.00 C ATOM 0 H THR A 25 7.376 5.756 11.607 1.00 0.00 H new ATOM 0 HA THR A 25 7.526 7.263 9.190 1.00 0.00 H new ATOM 0 HB THR A 25 5.561 5.099 9.898 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.531 3.861 8.871 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.892 4.470 7.521 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.316 6.146 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.031 5.824 7.328 1.00 0.00 H new ATOM 387 N SER A 26 5.153 8.275 8.827 1.00 0.00 N ATOM 388 CA SER A 26 4.066 9.241 8.773 1.00 0.00 C ATOM 389 C SER A 26 3.187 8.990 7.551 1.00 0.00 C ATOM 390 O SER A 26 3.594 8.272 6.639 1.00 0.00 O ATOM 391 CB SER A 26 4.673 10.645 8.726 1.00 0.00 C ATOM 392 OG SER A 26 5.299 10.852 7.479 1.00 0.00 O ATOM 0 H SER A 26 5.535 8.034 7.913 1.00 0.00 H new ATOM 0 HA SER A 26 3.435 9.142 9.656 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.896 11.393 8.882 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.397 10.765 9.532 1.00 0.00 H new ATOM 0 HG SER A 26 5.618 9.995 7.127 1.00 0.00 H new ATOM 398 N PRO A 27 1.976 9.560 7.499 1.00 0.00 N ATOM 399 CA PRO A 27 1.109 9.405 6.346 1.00 0.00 C ATOM 400 C PRO A 27 1.649 10.189 5.146 1.00 0.00 C ATOM 401 O PRO A 27 1.262 9.918 4.011 1.00 0.00 O ATOM 402 CB PRO A 27 -0.254 9.932 6.798 1.00 0.00 C ATOM 403 CG PRO A 27 0.096 10.954 7.876 1.00 0.00 C ATOM 404 CD PRO A 27 1.353 10.375 8.526 1.00 0.00 C ATOM 0 HA PRO A 27 1.045 8.368 6.016 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.800 10.390 5.973 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.882 9.133 7.192 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.283 11.939 7.449 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.713 11.068 8.598 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.023 11.167 8.860 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.103 9.778 9.403 1.00 0.00 H new ATOM 412 N ASP A 28 2.539 11.160 5.377 1.00 0.00 N ATOM 413 CA ASP A 28 3.114 11.946 4.300 1.00 0.00 C ATOM 414 C ASP A 28 4.191 11.140 3.580 1.00 0.00 C ATOM 415 O ASP A 28 4.354 11.271 2.365 1.00 0.00 O ATOM 416 CB ASP A 28 3.732 13.218 4.879 1.00 0.00 C ATOM 417 CG ASP A 28 4.256 14.140 3.780 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.415 14.717 3.059 1.00 0.00 O ATOM 419 OD2 ASP A 28 5.497 14.260 3.668 1.00 0.00 O ATOM 0 H ASP A 28 2.873 11.415 6.307 1.00 0.00 H new ATOM 0 HA ASP A 28 2.330 12.206 3.588 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.987 13.747 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.548 12.953 5.552 1.00 0.00 H new ATOM 424 N THR A 29 4.932 10.300 4.311 1.00 0.00 N ATOM 425 CA THR A 29 5.914 9.457 3.655 1.00 0.00 C ATOM 426 C THR A 29 5.166 8.466 2.799 1.00 0.00 C ATOM 427 O THR A 29 5.466 8.335 1.620 1.00 0.00 O ATOM 428 CB THR A 29 6.801 8.675 4.630 1.00 0.00 C ATOM 429 OG1 THR A 29 6.155 8.434 5.857 1.00 0.00 O ATOM 430 CG2 THR A 29 8.075 9.468 4.913 1.00 0.00 C ATOM 0 H THR A 29 4.869 10.193 5.323 1.00 0.00 H new ATOM 0 HA THR A 29 6.572 10.107 3.078 1.00 0.00 H new ATOM 0 HB THR A 29 7.028 7.718 4.161 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.203 8.267 5.698 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.704 8.910 5.607 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.617 9.630 3.981 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.814 10.430 5.353 1.00 0.00 H new ATOM 437 N LEU A 30 4.188 7.766 3.376 1.00 0.00 N ATOM 438 CA LEU A 30 3.523 6.696 2.661 1.00 0.00 C ATOM 439 C LEU A 30 2.870 7.227 1.387 1.00 0.00 C ATOM 440 O LEU A 30 2.751 6.492 0.411 1.00 0.00 O ATOM 441 CB LEU A 30 2.489 6.031 3.560 1.00 0.00 C ATOM 442 CG LEU A 30 3.129 5.548 4.862 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.005 5.256 5.849 1.00 0.00 C ATOM 444 CD2 LEU A 30 3.954 4.284 4.632 1.00 0.00 C ATOM 0 H LEU A 30 3.848 7.924 4.325 1.00 0.00 H new ATOM 0 HA LEU A 30 4.265 5.951 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.688 6.736 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.036 5.188 3.038 1.00 0.00 H new ATOM 0 HG LEU A 30 3.800 6.315 5.248 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.429 4.908 6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.429 6.165 6.024 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.352 4.486 5.439 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.398 3.963 5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.310 3.494 4.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.745 4.492 3.911 1.00 0.00 H new ATOM 456 N ARG A 31 2.447 8.493 1.379 1.00 0.00 N ATOM 457 CA ARG A 31 1.909 9.087 0.171 1.00 0.00 C ATOM 458 C ARG A 31 2.984 9.128 -0.912 1.00 0.00 C ATOM 459 O ARG A 31 2.706 8.768 -2.051 1.00 0.00 O ATOM 460 CB ARG A 31 1.375 10.493 0.484 1.00 0.00 C ATOM 461 CG ARG A 31 1.070 11.300 -0.781 1.00 0.00 C ATOM 462 CD ARG A 31 0.048 10.599 -1.677 1.00 0.00 C ATOM 463 NE ARG A 31 0.003 11.220 -3.002 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.839 12.184 -3.384 1.00 0.00 C ATOM 465 NH1 ARG A 31 -1.765 12.664 -2.556 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.746 12.670 -4.617 1.00 0.00 N ATOM 0 H ARG A 31 2.469 9.113 2.188 1.00 0.00 H new ATOM 0 HA ARG A 31 1.082 8.482 -0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.469 10.409 1.084 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.108 11.031 1.086 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.692 12.283 -0.501 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.992 11.460 -1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.306 9.544 -1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.938 10.645 -1.216 1.00 0.00 H new ATOM 0 HE ARG A 31 0.674 10.887 -3.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.842 12.295 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.397 13.400 -2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.039 12.307 -5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.381 13.406 -4.924 1.00 0.00 H new ATOM 480 N ARG A 32 4.202 9.564 -0.583 1.00 0.00 N ATOM 481 CA ARG A 32 5.240 9.755 -1.598 1.00 0.00 C ATOM 482 C ARG A 32 6.010 8.466 -1.898 1.00 0.00 C ATOM 483 O ARG A 32 6.265 8.159 -3.058 1.00 0.00 O ATOM 484 CB ARG A 32 6.200 10.837 -1.100 1.00 0.00 C ATOM 485 CG ARG A 32 7.273 11.147 -2.141 1.00 0.00 C ATOM 486 CD ARG A 32 8.214 12.214 -1.590 1.00 0.00 C ATOM 487 NE ARG A 32 9.276 12.537 -2.553 1.00 0.00 N ATOM 488 CZ ARG A 32 10.227 13.452 -2.337 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.263 14.144 -1.201 1.00 0.00 N ATOM 490 NH2 ARG A 32 11.150 13.680 -3.266 1.00 0.00 N ATOM 0 H ARG A 32 4.492 9.790 0.369 1.00 0.00 H new ATOM 0 HA ARG A 32 4.762 10.055 -2.531 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.641 11.744 -0.869 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.672 10.509 -0.174 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.832 10.243 -2.385 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.811 11.495 -3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.648 13.115 -1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.659 11.864 -0.658 1.00 0.00 H new ATOM 0 HE ARG A 32 9.289 12.033 -3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.559 13.980 -0.481 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.994 14.839 -1.050 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.132 13.157 -4.142 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.876 14.378 -3.103 1.00 0.00 H new ATOM 504 N VAL A 33 6.378 7.719 -0.859 1.00 0.00 N ATOM 505 CA VAL A 33 7.143 6.480 -0.977 1.00 0.00 C ATOM 506 C VAL A 33 6.357 5.402 -1.730 1.00 0.00 C ATOM 507 O VAL A 33 6.966 4.498 -2.295 1.00 0.00 O ATOM 508 CB VAL A 33 7.558 5.980 0.417 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.298 7.055 1.206 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.338 5.445 1.146 1.00 0.00 C ATOM 0 H VAL A 33 6.149 7.962 0.105 1.00 0.00 H new ATOM 0 HA VAL A 33 8.041 6.692 -1.557 1.00 0.00 H new ATOM 0 HB VAL A 33 8.269 5.161 0.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.574 6.663 2.185 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.198 7.348 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.652 7.923 1.332 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.631 5.090 2.134 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.599 6.239 1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.907 4.621 0.578 1.00 0.00 H new ATOM 520 N PHE A 34 5.019 5.487 -1.748 1.00 0.00 N ATOM 521 CA PHE A 34 4.196 4.561 -2.521 1.00 0.00 C ATOM 522 C PHE A 34 3.697 5.187 -3.825 1.00 0.00 C ATOM 523 O PHE A 34 3.274 4.457 -4.719 1.00 0.00 O ATOM 524 CB PHE A 34 2.994 4.100 -1.694 1.00 0.00 C ATOM 525 CG PHE A 34 3.307 3.008 -0.692 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.785 3.333 0.589 1.00 0.00 C ATOM 527 CD2 PHE A 34 3.113 1.661 -1.035 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.100 2.316 1.498 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.407 0.647 -0.115 1.00 0.00 C ATOM 530 CZ PHE A 34 3.911 0.975 1.148 1.00 0.00 C ATOM 0 H PHE A 34 4.488 6.190 -1.234 1.00 0.00 H new ATOM 0 HA PHE A 34 4.826 3.708 -2.771 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.584 4.958 -1.162 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.218 3.744 -2.371 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.909 4.368 0.872 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.735 1.405 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.490 2.568 2.473 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.245 -0.387 -0.380 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.154 0.193 1.852 1.00 0.00 H new ATOM 540 N GLU A 35 3.735 6.516 -3.964 1.00 0.00 N ATOM 541 CA GLU A 35 3.289 7.167 -5.192 1.00 0.00 C ATOM 542 C GLU A 35 4.124 6.745 -6.403 1.00 0.00 C ATOM 543 O GLU A 35 3.677 6.879 -7.540 1.00 0.00 O ATOM 544 CB GLU A 35 3.294 8.690 -5.004 1.00 0.00 C ATOM 545 CG GLU A 35 2.930 9.452 -6.277 1.00 0.00 C ATOM 546 CD GLU A 35 2.646 10.918 -5.962 1.00 0.00 C ATOM 547 OE1 GLU A 35 1.508 11.202 -5.523 1.00 0.00 O ATOM 548 OE2 GLU A 35 3.566 11.744 -6.166 1.00 0.00 O ATOM 0 H GLU A 35 4.069 7.156 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 35 2.269 6.844 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.590 8.955 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.282 9.006 -4.669 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.746 9.380 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.055 8.998 -6.742 1.00 0.00 H new ATOM 555 N LYS A 36 5.339 6.230 -6.179 1.00 0.00 N ATOM 556 CA LYS A 36 6.209 5.792 -7.262 1.00 0.00 C ATOM 557 C LYS A 36 5.730 4.485 -7.892 1.00 0.00 C ATOM 558 O LYS A 36 6.118 4.154 -9.010 1.00 0.00 O ATOM 559 CB LYS A 36 7.635 5.648 -6.723 1.00 0.00 C ATOM 560 CG LYS A 36 7.791 4.448 -5.781 1.00 0.00 C ATOM 561 CD LYS A 36 9.232 4.331 -5.273 1.00 0.00 C ATOM 562 CE LYS A 36 9.614 5.553 -4.437 1.00 0.00 C ATOM 563 NZ LYS A 36 10.992 5.435 -3.921 1.00 0.00 N ATOM 0 H LYS A 36 5.738 6.108 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 36 6.185 6.542 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.326 5.541 -7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.913 6.559 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.111 4.554 -4.936 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.510 3.533 -6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.339 3.427 -4.674 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.914 4.235 -6.118 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.526 6.454 -5.044 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.919 5.660 -3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.225 6.277 -3.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.068 4.587 -3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.656 5.357 -4.718 1.00 0.00 H new ATOM 577 N TYR A 37 4.883 3.749 -7.169 1.00 0.00 N ATOM 578 CA TYR A 37 4.310 2.490 -7.630 1.00 0.00 C ATOM 579 C TYR A 37 3.040 2.734 -8.433 1.00 0.00 C ATOM 580 O TYR A 37 2.560 1.837 -9.125 1.00 0.00 O ATOM 581 CB TYR A 37 3.978 1.617 -6.416 1.00 0.00 C ATOM 582 CG TYR A 37 5.194 1.196 -5.632 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.789 2.089 -4.734 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.726 -0.088 -5.809 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.928 1.712 -4.013 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.864 -0.467 -5.089 1.00 0.00 C ATOM 587 CZ TYR A 37 7.479 0.432 -4.197 1.00 0.00 C ATOM 588 OH TYR A 37 8.598 0.052 -3.521 1.00 0.00 O ATOM 0 H TYR A 37 4.574 4.018 -6.235 1.00 0.00 H new ATOM 0 HA TYR A 37 5.036 1.990 -8.271 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.302 2.164 -5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.445 0.727 -6.752 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.367 3.074 -4.597 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.261 -0.780 -6.496 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.382 2.402 -3.318 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.274 -1.458 -5.219 1.00 0.00 H new ATOM 0 HH TYR A 37 8.836 -0.865 -3.771 1.00 0.00 H new ATOM 598 N GLY A 38 2.489 3.947 -8.346 1.00 0.00 N ATOM 599 CA GLY A 38 1.247 4.313 -8.990 1.00 0.00 C ATOM 600 C GLY A 38 0.476 5.246 -8.069 1.00 0.00 C ATOM 601 O GLY A 38 0.973 5.640 -7.011 1.00 0.00 O ATOM 0 H GLY A 38 2.909 4.709 -7.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.446 4.803 -9.943 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.657 3.422 -9.206 1.00 0.00 H new ATOM 605 N ARG A 39 -0.741 5.611 -8.467 1.00 0.00 N ATOM 606 CA ARG A 39 -1.591 6.455 -7.648 1.00 0.00 C ATOM 607 C ARG A 39 -1.917 5.699 -6.365 1.00 0.00 C ATOM 608 O ARG A 39 -2.521 4.628 -6.400 1.00 0.00 O ATOM 609 CB ARG A 39 -2.841 6.890 -8.426 1.00 0.00 C ATOM 610 CG ARG A 39 -3.765 5.729 -8.812 1.00 0.00 C ATOM 611 CD ARG A 39 -4.891 6.221 -9.722 1.00 0.00 C ATOM 612 NE ARG A 39 -4.382 6.680 -11.015 1.00 0.00 N ATOM 613 CZ ARG A 39 -5.132 7.290 -11.939 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.424 7.511 -11.728 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.587 7.682 -13.087 1.00 0.00 N ATOM 0 H ARG A 39 -1.157 5.331 -9.356 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.077 7.378 -7.381 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.402 7.604 -7.823 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.531 7.412 -9.331 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.192 4.953 -9.320 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.186 5.278 -7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.610 5.417 -9.879 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.425 7.035 -9.232 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.396 6.525 -11.224 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.856 7.214 -10.853 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.985 7.977 -12.441 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.596 7.517 -13.263 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.160 8.147 -13.791 1.00 0.00 H new ATOM 629 N VAL A 40 -1.512 6.266 -5.224 1.00 0.00 N ATOM 630 CA VAL A 40 -1.776 5.653 -3.928 1.00 0.00 C ATOM 631 C VAL A 40 -3.270 5.461 -3.701 1.00 0.00 C ATOM 632 O VAL A 40 -3.649 4.691 -2.827 1.00 0.00 O ATOM 633 CB VAL A 40 -1.172 6.470 -2.780 1.00 0.00 C ATOM 634 CG1 VAL A 40 0.324 6.674 -3.017 1.00 0.00 C ATOM 635 CG2 VAL A 40 -1.858 7.829 -2.615 1.00 0.00 C ATOM 0 H VAL A 40 -1.001 7.148 -5.177 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.296 4.674 -3.938 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.330 5.906 -1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.746 7.255 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.820 5.705 -3.068 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.474 7.208 -3.955 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.396 8.372 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.750 8.405 -3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.917 7.679 -2.403 1.00 0.00 H new ATOM 645 N GLY A 41 -4.101 6.157 -4.486 1.00 0.00 N ATOM 646 CA GLY A 41 -5.553 6.058 -4.476 1.00 0.00 C ATOM 647 C GLY A 41 -6.174 6.752 -3.266 1.00 0.00 C ATOM 648 O GLY A 41 -7.078 7.572 -3.416 1.00 0.00 O ATOM 0 H GLY A 41 -3.759 6.831 -5.171 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.951 6.500 -5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.843 5.007 -4.478 1.00 0.00 H new ATOM 652 N ASP A 42 -5.685 6.424 -2.072 1.00 0.00 N ATOM 653 CA ASP A 42 -6.112 7.016 -0.819 1.00 0.00 C ATOM 654 C ASP A 42 -5.035 6.755 0.234 1.00 0.00 C ATOM 655 O ASP A 42 -4.206 5.865 0.060 1.00 0.00 O ATOM 656 CB ASP A 42 -7.447 6.390 -0.391 1.00 0.00 C ATOM 657 CG ASP A 42 -8.003 7.070 0.852 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.876 8.311 0.931 1.00 0.00 O ATOM 659 OD2 ASP A 42 -8.547 6.345 1.716 1.00 0.00 O ATOM 0 H ASP A 42 -4.959 5.717 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.253 8.091 -0.932 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -8.167 6.471 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -7.306 5.327 -0.195 1.00 0.00 H new ATOM 664 N VAL A 43 -5.041 7.520 1.325 1.00 0.00 N ATOM 665 CA VAL A 43 -4.031 7.407 2.365 1.00 0.00 C ATOM 666 C VAL A 43 -4.658 7.729 3.719 1.00 0.00 C ATOM 667 O VAL A 43 -5.173 8.827 3.924 1.00 0.00 O ATOM 668 CB VAL A 43 -2.836 8.312 2.026 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.277 9.675 1.490 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.905 8.497 3.228 1.00 0.00 C ATOM 0 H VAL A 43 -5.747 8.233 1.508 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.650 6.387 2.422 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.284 7.802 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -2.398 10.279 1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.864 9.536 0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.883 10.182 2.241 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.073 9.143 2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.458 8.953 4.049 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.521 7.527 3.544 1.00 0.00 H new ATOM 680 N TYR A 44 -4.605 6.763 4.643 1.00 0.00 N ATOM 681 CA TYR A 44 -5.144 6.950 5.981 1.00 0.00 C ATOM 682 C TYR A 44 -4.310 6.241 7.047 1.00 0.00 C ATOM 683 O TYR A 44 -3.486 5.382 6.736 1.00 0.00 O ATOM 684 CB TYR A 44 -6.599 6.485 6.037 1.00 0.00 C ATOM 685 CG TYR A 44 -7.327 7.119 7.202 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.350 8.514 7.314 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.963 6.327 8.168 1.00 0.00 C ATOM 688 CE1 TYR A 44 -7.980 9.127 8.405 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.614 6.928 9.256 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.616 8.335 9.381 1.00 0.00 C ATOM 691 OH TYR A 44 -9.234 8.939 10.433 1.00 0.00 O ATOM 0 H TYR A 44 -4.192 5.844 4.481 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.102 8.017 6.202 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -7.103 6.742 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.634 5.399 6.129 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.879 9.121 6.555 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.952 5.251 8.075 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.978 10.203 8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.112 6.317 9.995 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.626 8.257 11.018 1.00 0.00 H new ATOM 701 N ILE A 45 -4.548 6.613 8.308 1.00 0.00 N ATOM 702 CA ILE A 45 -3.959 5.998 9.489 1.00 0.00 C ATOM 703 C ILE A 45 -5.063 5.947 10.546 1.00 0.00 C ATOM 704 O ILE A 45 -5.270 6.919 11.272 1.00 0.00 O ATOM 705 CB ILE A 45 -2.722 6.779 9.969 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.586 6.621 8.948 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.267 6.222 11.321 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.325 7.377 9.374 1.00 0.00 C ATOM 0 H ILE A 45 -5.180 7.380 8.537 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.597 4.993 9.274 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.975 7.834 10.071 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.351 5.563 8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.918 6.987 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.391 6.772 11.665 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.072 6.330 12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.014 5.167 11.213 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.453 7.238 8.624 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.552 8.439 9.469 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.023 6.993 10.333 1.00 0.00 H new ATOM 720 N PRO A 46 -5.773 4.814 10.628 1.00 0.00 N ATOM 721 CA PRO A 46 -6.870 4.550 11.553 1.00 0.00 C ATOM 722 C PRO A 46 -6.508 4.603 13.043 1.00 0.00 C ATOM 723 O PRO A 46 -7.281 4.108 13.863 1.00 0.00 O ATOM 724 CB PRO A 46 -7.376 3.150 11.200 1.00 0.00 C ATOM 725 CG PRO A 46 -6.858 2.891 9.793 1.00 0.00 C ATOM 726 CD PRO A 46 -5.559 3.681 9.748 1.00 0.00 C ATOM 0 HA PRO A 46 -7.612 5.340 11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.001 2.406 11.902 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.464 3.102 11.236 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.689 1.829 9.616 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.563 3.233 9.035 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.718 3.075 10.084 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.332 4.008 8.733 1.00 0.00 H new ATOM 734 N ARG A 47 -5.356 5.180 13.403 1.00 0.00 N ATOM 735 CA ARG A 47 -4.830 5.169 14.764 1.00 0.00 C ATOM 736 C ARG A 47 -5.901 5.462 15.818 1.00 0.00 C ATOM 737 O ARG A 47 -6.188 4.619 16.664 1.00 0.00 O ATOM 738 CB ARG A 47 -3.634 6.125 14.853 1.00 0.00 C ATOM 739 CG ARG A 47 -3.924 7.546 14.357 1.00 0.00 C ATOM 740 CD ARG A 47 -2.621 8.339 14.266 1.00 0.00 C ATOM 741 NE ARG A 47 -2.821 9.599 13.536 1.00 0.00 N ATOM 742 CZ ARG A 47 -1.897 10.557 13.412 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.707 10.436 13.988 1.00 0.00 N ATOM 744 NH2 ARG A 47 -2.162 11.653 12.709 1.00 0.00 N ATOM 0 H ARG A 47 -4.756 5.675 12.743 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.486 4.160 14.992 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.301 6.176 15.890 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.809 5.711 14.273 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.407 7.509 13.380 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.617 8.044 15.036 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.249 8.551 15.269 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.861 7.740 13.764 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.727 9.753 13.094 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.487 9.603 14.534 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.013 11.176 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.072 11.765 12.262 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.455 12.383 12.616 1.00 0.00 H new ATOM 758 N ASP A 48 -6.492 6.657 15.762 1.00 0.00 N ATOM 759 CA ASP A 48 -7.581 7.073 16.624 1.00 0.00 C ATOM 760 C ASP A 48 -8.259 8.286 15.989 1.00 0.00 C ATOM 761 O ASP A 48 -7.806 8.756 14.949 1.00 0.00 O ATOM 762 CB ASP A 48 -7.008 7.405 18.006 1.00 0.00 C ATOM 763 CG ASP A 48 -8.107 7.629 19.035 1.00 0.00 C ATOM 764 OD1 ASP A 48 -8.662 6.621 19.523 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.379 8.816 19.317 1.00 0.00 O ATOM 0 H ASP A 48 -6.213 7.376 15.095 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.324 6.284 16.742 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.361 6.592 18.336 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.387 8.298 17.937 1.00 0.00 H new ATOM 770 N ARG A 49 -9.337 8.808 16.593 1.00 0.00 N ATOM 771 CA ARG A 49 -10.044 9.951 16.029 1.00 0.00 C ATOM 772 C ARG A 49 -10.295 11.045 17.071 1.00 0.00 C ATOM 773 O ARG A 49 -11.017 12.001 16.796 1.00 0.00 O ATOM 774 CB ARG A 49 -11.324 9.480 15.320 1.00 0.00 C ATOM 775 CG ARG A 49 -12.532 9.367 16.252 1.00 0.00 C ATOM 776 CD ARG A 49 -13.746 8.888 15.457 1.00 0.00 C ATOM 777 NE ARG A 49 -15.000 9.241 16.124 1.00 0.00 N ATOM 778 CZ ARG A 49 -15.675 10.374 15.893 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.215 11.281 15.036 1.00 0.00 N ATOM 780 NH2 ARG A 49 -16.821 10.603 16.524 1.00 0.00 N ATOM 0 H ARG A 49 -9.730 8.455 17.465 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.409 10.418 15.276 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.560 10.175 14.515 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.139 8.510 14.859 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.316 8.670 17.062 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.742 10.333 16.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -13.726 9.329 14.461 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.694 7.807 15.328 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.382 8.585 16.805 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.336 11.118 14.544 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -15.741 12.139 14.871 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -17.186 9.916 17.184 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -17.336 11.466 16.349 1.00 0.00 H new ATOM 794 N TYR A 50 -9.699 10.912 18.261 1.00 0.00 N ATOM 795 CA TYR A 50 -9.845 11.887 19.337 1.00 0.00 C ATOM 796 C TYR A 50 -8.488 12.285 19.913 1.00 0.00 C ATOM 797 O TYR A 50 -8.372 13.343 20.531 1.00 0.00 O ATOM 798 CB TYR A 50 -10.681 11.307 20.482 1.00 0.00 C ATOM 799 CG TYR A 50 -11.902 10.511 20.085 1.00 0.00 C ATOM 800 CD1 TYR A 50 -13.099 11.163 19.766 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.825 9.112 20.057 1.00 0.00 C ATOM 802 CE1 TYR A 50 -14.236 10.410 19.432 1.00 0.00 C ATOM 803 CE2 TYR A 50 -12.956 8.354 19.726 1.00 0.00 C ATOM 804 CZ TYR A 50 -14.170 9.002 19.417 1.00 0.00 C ATOM 805 OH TYR A 50 -15.274 8.264 19.105 1.00 0.00 O ATOM 0 H TYR A 50 -9.101 10.121 18.501 1.00 0.00 H new ATOM 0 HA TYR A 50 -10.337 12.760 18.907 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.037 10.667 21.085 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -11.002 12.129 21.121 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -13.148 12.242 19.777 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -10.894 8.618 20.291 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -15.161 10.910 19.187 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -12.898 7.276 19.708 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.051 7.310 19.141 1.00 0.00 H new ATOM 815 N THR A 51 -7.462 11.450 19.719 1.00 0.00 N ATOM 816 CA THR A 51 -6.130 11.708 20.252 1.00 0.00 C ATOM 817 C THR A 51 -5.060 11.511 19.179 1.00 0.00 C ATOM 818 O THR A 51 -3.977 12.083 19.285 1.00 0.00 O ATOM 819 CB THR A 51 -5.861 10.774 21.438 1.00 0.00 C ATOM 820 OG1 THR A 51 -5.701 9.451 20.970 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.018 10.793 22.437 1.00 0.00 C ATOM 0 H THR A 51 -7.536 10.581 19.190 1.00 0.00 H new ATOM 0 HA THR A 51 -6.087 12.745 20.586 1.00 0.00 H new ATOM 0 HB THR A 51 -4.956 11.122 21.937 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.491 9.189 20.453 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.795 10.120 23.265 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.153 11.805 22.818 1.00 0.00 H new ATOM 0 HG23 THR A 51 -7.932 10.467 21.941 1.00 0.00 H new ATOM 828 N LYS A 52 -5.369 10.708 18.154 1.00 0.00 N ATOM 829 CA LYS A 52 -4.484 10.413 17.037 1.00 0.00 C ATOM 830 C LYS A 52 -3.061 10.063 17.487 1.00 0.00 C ATOM 831 O LYS A 52 -2.118 10.777 17.158 1.00 0.00 O ATOM 832 CB LYS A 52 -4.510 11.580 16.043 1.00 0.00 C ATOM 833 CG LYS A 52 -5.926 11.821 15.514 1.00 0.00 C ATOM 834 CD LYS A 52 -5.899 12.922 14.451 1.00 0.00 C ATOM 835 CE LYS A 52 -7.294 13.159 13.877 1.00 0.00 C ATOM 836 NZ LYS A 52 -8.212 13.739 14.880 1.00 0.00 N ATOM 0 H LYS A 52 -6.270 10.235 18.083 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.853 9.518 16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.141 12.484 16.528 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -3.839 11.368 15.211 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.327 10.901 15.089 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.586 12.108 16.332 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.519 13.846 14.888 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -5.214 12.643 13.650 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.225 13.828 13.019 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.702 12.216 13.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.104 14.010 14.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.405 13.036 15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.774 14.580 15.307 1.00 0.00 H new ATOM 850 N GLU A 53 -2.901 8.965 18.240 1.00 0.00 N ATOM 851 CA GLU A 53 -1.586 8.607 18.783 1.00 0.00 C ATOM 852 C GLU A 53 -1.153 7.175 18.466 1.00 0.00 C ATOM 853 O GLU A 53 0.036 6.862 18.534 1.00 0.00 O ATOM 854 CB GLU A 53 -1.570 8.769 20.306 1.00 0.00 C ATOM 855 CG GLU A 53 -2.087 10.134 20.736 1.00 0.00 C ATOM 856 CD GLU A 53 -1.850 10.362 22.228 1.00 0.00 C ATOM 857 OE1 GLU A 53 -2.609 9.783 23.038 1.00 0.00 O ATOM 858 OE2 GLU A 53 -0.908 11.123 22.551 1.00 0.00 O ATOM 0 H GLU A 53 -3.653 8.320 18.483 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.886 9.288 18.299 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.181 7.989 20.761 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.553 8.633 20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.588 10.914 20.161 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.152 10.209 20.517 1.00 0.00 H new ATOM 865 N SER A 54 -2.101 6.308 18.114 1.00 0.00 N ATOM 866 CA SER A 54 -1.840 4.901 17.815 1.00 0.00 C ATOM 867 C SER A 54 -1.217 4.721 16.422 1.00 0.00 C ATOM 868 O SER A 54 -1.551 3.787 15.696 1.00 0.00 O ATOM 869 CB SER A 54 -3.140 4.109 17.962 1.00 0.00 C ATOM 870 OG SER A 54 -2.872 2.725 17.993 1.00 0.00 O ATOM 0 H SER A 54 -3.084 6.566 18.027 1.00 0.00 H new ATOM 0 HA SER A 54 -1.109 4.517 18.526 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.653 4.407 18.876 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.808 4.338 17.132 1.00 0.00 H new ATOM 0 HG SER A 54 -2.350 2.475 17.202 1.00 0.00 H new ATOM 876 N ARG A 55 -0.310 5.628 16.043 1.00 0.00 N ATOM 877 CA ARG A 55 0.302 5.711 14.720 1.00 0.00 C ATOM 878 C ARG A 55 1.213 4.529 14.374 1.00 0.00 C ATOM 879 O ARG A 55 2.003 4.624 13.438 1.00 0.00 O ATOM 880 CB ARG A 55 1.071 7.032 14.620 1.00 0.00 C ATOM 881 CG ARG A 55 2.310 7.043 15.522 1.00 0.00 C ATOM 882 CD ARG A 55 3.031 8.384 15.386 1.00 0.00 C ATOM 883 NE ARG A 55 4.302 8.381 16.112 1.00 0.00 N ATOM 884 CZ ARG A 55 4.439 8.627 17.418 1.00 0.00 C ATOM 885 NH1 ARG A 55 3.382 8.898 18.177 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.646 8.602 17.965 1.00 0.00 N ATOM 0 H ARG A 55 0.029 6.351 16.678 1.00 0.00 H new ATOM 0 HA ARG A 55 -0.505 5.671 13.988 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.373 7.198 13.586 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.414 7.856 14.896 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.019 6.879 16.559 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.980 6.229 15.247 1.00 0.00 H new ATOM 0 HD2 ARG A 55 3.212 8.597 14.332 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.394 9.182 15.767 1.00 0.00 H new ATOM 0 HE ARG A 55 5.148 8.175 15.580 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.450 8.920 17.764 1.00 0.00 H new ATOM 0 HH12 ARG A 55 3.503 9.084 19.173 1.00 0.00 H new ATOM 0 HH21 ARG A 55 6.463 8.396 17.390 1.00 0.00 H new ATOM 0 HH22 ARG A 55 5.758 8.789 18.961 1.00 0.00 H new ATOM 900 N GLY A 56 1.123 3.416 15.107 1.00 0.00 N ATOM 901 CA GLY A 56 1.974 2.254 14.892 1.00 0.00 C ATOM 902 C GLY A 56 1.657 1.508 13.591 1.00 0.00 C ATOM 903 O GLY A 56 2.289 0.495 13.303 1.00 0.00 O ATOM 0 H GLY A 56 0.454 3.300 15.868 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.016 2.573 14.876 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.863 1.569 15.733 1.00 0.00 H new ATOM 907 N PHE A 57 0.692 1.985 12.802 1.00 0.00 N ATOM 908 CA PHE A 57 0.299 1.334 11.560 1.00 0.00 C ATOM 909 C PHE A 57 -0.336 2.339 10.603 1.00 0.00 C ATOM 910 O PHE A 57 -0.359 3.535 10.882 1.00 0.00 O ATOM 911 CB PHE A 57 -0.662 0.188 11.874 1.00 0.00 C ATOM 912 CG PHE A 57 -2.006 0.682 12.345 1.00 0.00 C ATOM 913 CD1 PHE A 57 -2.179 1.119 13.663 1.00 0.00 C ATOM 914 CD2 PHE A 57 -3.080 0.711 11.446 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.426 1.604 14.080 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.321 1.201 11.860 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.499 1.642 13.178 1.00 0.00 C ATOM 0 H PHE A 57 0.164 2.833 13.010 1.00 0.00 H new ATOM 0 HA PHE A 57 1.183 0.928 11.068 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.795 -0.426 10.983 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.223 -0.452 12.640 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.353 1.083 14.358 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.949 0.355 10.435 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.560 1.948 15.095 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -5.145 1.240 11.163 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.462 2.011 13.499 1.00 0.00 H new ATOM 927 N ALA A 58 -0.852 1.854 9.470 1.00 0.00 N ATOM 928 CA ALA A 58 -1.469 2.701 8.464 1.00 0.00 C ATOM 929 C ALA A 58 -2.509 1.938 7.642 1.00 0.00 C ATOM 930 O ALA A 58 -2.756 0.752 7.861 1.00 0.00 O ATOM 931 CB ALA A 58 -0.380 3.251 7.545 1.00 0.00 C ATOM 0 H ALA A 58 -0.850 0.862 9.231 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.986 3.517 8.969 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.833 3.889 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.331 3.833 8.131 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.140 2.424 7.062 1.00 0.00 H new ATOM 937 N PHE A 59 -3.115 2.641 6.682 1.00 0.00 N ATOM 938 CA PHE A 59 -4.104 2.114 5.757 1.00 0.00 C ATOM 939 C PHE A 59 -4.071 2.927 4.460 1.00 0.00 C ATOM 940 O PHE A 59 -5.043 3.597 4.108 1.00 0.00 O ATOM 941 CB PHE A 59 -5.477 2.174 6.425 1.00 0.00 C ATOM 942 CG PHE A 59 -6.518 1.262 5.817 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.450 0.860 4.474 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.567 0.805 6.621 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.414 -0.009 3.947 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.526 -0.071 6.096 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.440 -0.491 4.762 1.00 0.00 C ATOM 0 H PHE A 59 -2.918 3.630 6.527 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.886 1.076 5.505 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.364 1.921 7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.843 3.200 6.381 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.651 1.222 3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.638 1.128 7.649 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.364 -0.306 2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.333 -0.423 6.721 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.165 -1.186 4.365 1.00 0.00 H new ATOM 957 N VAL A 60 -2.954 2.884 3.730 1.00 0.00 N ATOM 958 CA VAL A 60 -2.947 3.450 2.376 1.00 0.00 C ATOM 959 C VAL A 60 -3.801 2.517 1.523 1.00 0.00 C ATOM 960 O VAL A 60 -3.854 1.330 1.833 1.00 0.00 O ATOM 961 CB VAL A 60 -1.529 3.550 1.804 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.510 4.347 0.500 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.591 4.240 2.793 1.00 0.00 C ATOM 0 H VAL A 60 -2.070 2.478 4.038 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.341 4.466 2.387 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.193 2.530 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.490 4.399 0.120 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.146 3.856 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.881 5.355 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.410 4.299 2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.957 5.245 3.001 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.555 3.668 3.720 1.00 0.00 H new ATOM 973 N ARG A 61 -4.462 3.003 0.466 1.00 0.00 N ATOM 974 CA ARG A 61 -5.386 2.170 -0.301 1.00 0.00 C ATOM 975 C ARG A 61 -5.371 2.513 -1.783 1.00 0.00 C ATOM 976 O ARG A 61 -5.940 3.520 -2.197 1.00 0.00 O ATOM 977 CB ARG A 61 -6.792 2.306 0.286 1.00 0.00 C ATOM 978 CG ARG A 61 -7.869 1.758 -0.654 1.00 0.00 C ATOM 979 CD ARG A 61 -9.241 1.796 0.016 1.00 0.00 C ATOM 980 NE ARG A 61 -9.471 3.076 0.693 1.00 0.00 N ATOM 981 CZ ARG A 61 -10.457 3.282 1.568 1.00 0.00 C ATOM 982 NH1 ARG A 61 -11.408 2.370 1.739 1.00 0.00 N ATOM 983 NH2 ARG A 61 -10.482 4.410 2.272 1.00 0.00 N ATOM 0 H ARG A 61 -4.373 3.961 0.127 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.061 1.132 -0.224 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.839 1.776 1.237 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.996 3.356 0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.891 2.345 -1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.625 0.734 -0.937 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -10.017 1.634 -0.732 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.318 0.982 0.737 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.843 3.852 0.484 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.388 1.505 1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.158 2.535 2.410 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.751 5.109 2.141 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.232 4.576 2.943 1.00 0.00 H new ATOM 997 N PHE A 62 -4.716 1.661 -2.581 1.00 0.00 N ATOM 998 CA PHE A 62 -4.679 1.831 -4.030 1.00 0.00 C ATOM 999 C PHE A 62 -6.034 1.445 -4.609 1.00 0.00 C ATOM 1000 O PHE A 62 -6.811 0.767 -3.936 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.598 0.936 -4.642 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.173 1.329 -4.306 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.615 1.008 -3.060 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.396 2.001 -5.261 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.278 1.324 -2.783 1.00 0.00 C ATOM 1006 CE2 PHE A 62 -0.057 2.315 -4.983 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.506 1.967 -3.752 1.00 0.00 C ATOM 0 H PHE A 62 -4.205 0.846 -2.242 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.451 2.871 -4.262 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.764 -0.088 -4.309 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.714 0.941 -5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.218 0.516 -2.311 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.829 2.277 -6.211 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.149 1.072 -1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.540 2.827 -5.723 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.542 2.193 -3.547 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.313 1.871 -5.850 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.588 1.614 -6.521 1.00 0.00 C ATOM 1019 C HIS A 63 -7.392 1.002 -7.909 1.00 0.00 C ATOM 1020 O HIS A 63 -8.372 0.773 -8.619 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.383 2.910 -6.665 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.695 3.598 -5.366 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.367 3.039 -4.277 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -8.364 4.889 -5.082 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.421 4.017 -3.358 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.831 5.139 -3.815 1.00 0.00 N ATOM 0 H HIS A 63 -5.654 2.406 -6.416 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.134 0.902 -5.902 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.822 3.596 -7.300 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.319 2.692 -7.180 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.839 5.579 -5.726 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -9.876 3.918 -2.384 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -8.746 6.020 -3.308 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.144 0.732 -8.299 1.00 0.00 N ATOM 1035 CA ASP A 64 -5.841 0.107 -9.579 1.00 0.00 C ATOM 1036 C ASP A 64 -5.044 -1.164 -9.319 1.00 0.00 C ATOM 1037 O ASP A 64 -4.065 -1.144 -8.578 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.069 1.083 -10.467 1.00 0.00 C ATOM 1039 CG ASP A 64 -4.826 0.512 -11.860 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.060 -0.472 -11.964 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -5.409 1.064 -12.820 1.00 0.00 O ATOM 0 H ASP A 64 -5.320 0.942 -7.735 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.760 -0.154 -10.104 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.625 2.017 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.113 1.321 -10.000 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.468 -2.270 -9.931 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.913 -3.584 -9.635 1.00 0.00 C ATOM 1048 C LYS A 65 -3.446 -3.726 -10.026 1.00 0.00 C ATOM 1049 O LYS A 65 -2.761 -4.586 -9.488 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.758 -4.666 -10.312 1.00 0.00 C ATOM 1051 CG LYS A 65 -5.714 -4.554 -11.840 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.541 -5.664 -12.489 1.00 0.00 C ATOM 1053 CE LYS A 65 -5.961 -7.032 -12.139 1.00 0.00 C ATOM 1054 NZ LYS A 65 -6.694 -8.118 -12.816 1.00 0.00 N ATOM 0 H LYS A 65 -6.201 -2.277 -10.640 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.948 -3.706 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.398 -5.649 -10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.790 -4.586 -9.972 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.096 -3.581 -12.149 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.682 -4.615 -12.184 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.575 -5.602 -12.149 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.553 -5.533 -13.571 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.910 -7.067 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -6.002 -7.181 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -6.275 -9.034 -12.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.692 -8.099 -12.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.633 -7.988 -13.846 1.00 0.00 H new ATOM 1068 N ARG A 66 -2.948 -2.904 -10.951 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.558 -3.017 -11.390 1.00 0.00 C ATOM 1070 C ARG A 66 -0.673 -2.275 -10.421 1.00 0.00 C ATOM 1071 O ARG A 66 0.357 -2.774 -9.972 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.409 -2.352 -12.752 1.00 0.00 C ATOM 1073 CG ARG A 66 -2.333 -3.043 -13.739 1.00 0.00 C ATOM 1074 CD ARG A 66 -2.456 -2.203 -15.009 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.248 -0.992 -14.754 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.525 -0.065 -15.673 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.052 -0.175 -16.912 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -4.275 0.981 -15.348 1.00 0.00 N ATOM 0 H ARG A 66 -3.480 -2.162 -11.406 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.280 -4.070 -11.441 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.655 -1.292 -12.683 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.376 -2.418 -13.093 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.945 -4.032 -13.983 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.316 -3.187 -13.291 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.464 -1.927 -15.366 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.926 -2.792 -15.797 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.610 -0.850 -13.811 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.471 -0.974 -17.167 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.270 0.540 -17.606 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.637 1.074 -14.399 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.489 1.692 -16.047 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.110 -1.057 -10.107 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.427 -0.215 -9.138 1.00 0.00 C ATOM 1094 C ASP A 67 -0.415 -0.934 -7.794 1.00 0.00 C ATOM 1095 O ASP A 67 0.494 -0.750 -6.988 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.136 1.136 -9.022 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.101 1.939 -10.328 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.379 1.526 -11.263 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.805 2.972 -10.376 1.00 0.00 O ATOM 0 H ASP A 67 -1.942 -0.632 -10.516 1.00 0.00 H new ATOM 0 HA ASP A 67 0.598 -0.029 -9.460 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.173 0.973 -8.729 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.668 1.720 -8.229 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.440 -1.760 -7.554 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.588 -2.488 -6.314 1.00 0.00 C ATOM 1106 C ALA A 68 -0.806 -3.803 -6.315 1.00 0.00 C ATOM 1107 O ALA A 68 -0.159 -4.126 -5.321 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.075 -2.774 -6.116 1.00 0.00 C ATOM 0 H ALA A 68 -2.187 -1.935 -8.226 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.186 -1.882 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.219 -3.324 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.623 -1.833 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.445 -3.369 -6.951 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.845 -4.571 -7.408 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.119 -5.834 -7.445 1.00 0.00 C ATOM 1116 C GLU A 69 1.381 -5.586 -7.430 1.00 0.00 C ATOM 1117 O GLU A 69 2.117 -6.365 -6.832 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.506 -6.655 -8.677 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.867 -7.325 -8.480 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.256 -8.163 -9.700 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.565 -9.176 -9.950 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -3.241 -7.786 -10.378 1.00 0.00 O ATOM 0 H GLU A 69 -1.360 -4.344 -8.258 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.391 -6.403 -6.556 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.538 -6.009 -9.554 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.253 -7.414 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.837 -7.960 -7.595 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.627 -6.564 -8.301 1.00 0.00 H new ATOM 1129 N ASP A 70 1.850 -4.514 -8.068 1.00 0.00 N ATOM 1130 CA ASP A 70 3.265 -4.173 -7.980 1.00 0.00 C ATOM 1131 C ASP A 70 3.625 -3.713 -6.567 1.00 0.00 C ATOM 1132 O ASP A 70 4.681 -4.076 -6.039 1.00 0.00 O ATOM 1133 CB ASP A 70 3.587 -3.052 -8.964 1.00 0.00 C ATOM 1134 CG ASP A 70 3.572 -3.523 -10.417 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.801 -4.731 -10.658 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.331 -2.661 -11.294 1.00 0.00 O ATOM 0 H ASP A 70 1.286 -3.883 -8.637 1.00 0.00 H new ATOM 0 HA ASP A 70 3.846 -5.062 -8.223 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.864 -2.246 -8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.568 -2.639 -8.730 1.00 0.00 H new ATOM 1141 N ALA A 71 2.753 -2.912 -5.947 1.00 0.00 N ATOM 1142 CA ALA A 71 3.026 -2.351 -4.640 1.00 0.00 C ATOM 1143 C ALA A 71 3.229 -3.438 -3.591 1.00 0.00 C ATOM 1144 O ALA A 71 4.037 -3.259 -2.683 1.00 0.00 O ATOM 1145 CB ALA A 71 1.883 -1.423 -4.226 1.00 0.00 C ATOM 0 H ALA A 71 1.851 -2.642 -6.340 1.00 0.00 H new ATOM 0 HA ALA A 71 3.953 -1.781 -4.705 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.093 -1.004 -3.242 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.789 -0.616 -4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.951 -1.988 -4.188 1.00 0.00 H new ATOM 1151 N MET A 72 2.522 -4.567 -3.698 1.00 0.00 N ATOM 1152 CA MET A 72 2.685 -5.622 -2.705 1.00 0.00 C ATOM 1153 C MET A 72 3.822 -6.564 -3.097 1.00 0.00 C ATOM 1154 O MET A 72 4.449 -7.165 -2.229 1.00 0.00 O ATOM 1155 CB MET A 72 1.377 -6.398 -2.518 1.00 0.00 C ATOM 1156 CG MET A 72 1.127 -7.280 -3.733 1.00 0.00 C ATOM 1157 SD MET A 72 -0.484 -8.099 -3.765 1.00 0.00 S ATOM 1158 CE MET A 72 -0.259 -9.022 -5.307 1.00 0.00 C ATOM 0 H MET A 72 1.852 -4.767 -4.440 1.00 0.00 H new ATOM 0 HA MET A 72 2.943 -5.156 -1.754 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.431 -7.010 -1.617 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.547 -5.704 -2.383 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.226 -6.671 -4.632 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.906 -8.041 -3.777 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.229 -9.189 -5.776 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.378 -8.451 -5.983 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.209 -9.982 -5.091 1.00 0.00 H new ATOM 1168 N ASP A 73 4.094 -6.690 -4.399 1.00 0.00 N ATOM 1169 CA ASP A 73 5.168 -7.541 -4.886 1.00 0.00 C ATOM 1170 C ASP A 73 6.539 -6.959 -4.523 1.00 0.00 C ATOM 1171 O ASP A 73 7.553 -7.642 -4.655 1.00 0.00 O ATOM 1172 CB ASP A 73 5.023 -7.705 -6.400 1.00 0.00 C ATOM 1173 CG ASP A 73 6.060 -8.668 -6.978 1.00 0.00 C ATOM 1174 OD1 ASP A 73 5.992 -9.871 -6.633 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.912 -8.193 -7.764 1.00 0.00 O ATOM 0 H ASP A 73 3.578 -6.207 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 73 5.098 -8.519 -4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.022 -8.070 -6.630 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.125 -6.732 -6.881 1.00 0.00 H new ATOM 1180 N ALA A 74 6.567 -5.704 -4.060 1.00 0.00 N ATOM 1181 CA ALA A 74 7.819 -5.042 -3.722 1.00 0.00 C ATOM 1182 C ALA A 74 7.820 -4.391 -2.334 1.00 0.00 C ATOM 1183 O ALA A 74 8.870 -3.919 -1.891 1.00 0.00 O ATOM 1184 CB ALA A 74 8.079 -3.995 -4.796 1.00 0.00 C ATOM 0 H ALA A 74 5.735 -5.132 -3.913 1.00 0.00 H new ATOM 0 HA ALA A 74 8.607 -5.795 -3.685 1.00 0.00 H new ATOM 0 HB1 ALA A 74 9.012 -3.475 -4.579 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.153 -4.482 -5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.258 -3.278 -4.811 1.00 0.00 H new ATOM 1190 N MET A 75 6.683 -4.357 -1.631 1.00 0.00 N ATOM 1191 CA MET A 75 6.639 -3.851 -0.257 1.00 0.00 C ATOM 1192 C MET A 75 6.168 -4.900 0.753 1.00 0.00 C ATOM 1193 O MET A 75 6.476 -4.755 1.935 1.00 0.00 O ATOM 1194 CB MET A 75 5.707 -2.644 -0.142 1.00 0.00 C ATOM 1195 CG MET A 75 6.220 -1.394 -0.857 1.00 0.00 C ATOM 1196 SD MET A 75 7.161 -0.276 0.215 1.00 0.00 S ATOM 1197 CE MET A 75 6.967 1.255 -0.730 1.00 0.00 C ATOM 0 H MET A 75 5.783 -4.674 -1.991 1.00 0.00 H new ATOM 0 HA MET A 75 7.666 -3.571 -0.022 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.732 -2.910 -0.551 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.558 -2.412 0.912 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.850 -1.697 -1.693 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.372 -0.853 -1.277 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.876 2.097 -0.044 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.837 1.400 -1.370 1.00 0.00 H new ATOM 0 HE3 MET A 75 6.070 1.191 -1.346 1.00 0.00 H new ATOM 1207 N ASP A 76 5.437 -5.946 0.349 1.00 0.00 N ATOM 1208 CA ASP A 76 5.014 -6.940 1.324 1.00 0.00 C ATOM 1209 C ASP A 76 6.225 -7.695 1.876 1.00 0.00 C ATOM 1210 O ASP A 76 7.033 -8.230 1.118 1.00 0.00 O ATOM 1211 CB ASP A 76 4.013 -7.919 0.712 1.00 0.00 C ATOM 1212 CG ASP A 76 3.511 -8.917 1.754 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.270 -8.483 2.903 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.373 -10.106 1.393 1.00 0.00 O ATOM 0 H ASP A 76 5.138 -6.118 -0.611 1.00 0.00 H new ATOM 0 HA ASP A 76 4.520 -6.419 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.169 -7.368 0.296 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.482 -8.455 -0.113 1.00 0.00 H new ATOM 1219 N GLY A 77 6.343 -7.733 3.203 1.00 0.00 N ATOM 1220 CA GLY A 77 7.414 -8.452 3.880 1.00 0.00 C ATOM 1221 C GLY A 77 8.738 -7.686 3.846 1.00 0.00 C ATOM 1222 O GLY A 77 9.751 -8.196 4.317 1.00 0.00 O ATOM 0 H GLY A 77 5.696 -7.264 3.837 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.128 -8.634 4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.548 -9.426 3.410 1.00 0.00 H new ATOM 1226 N ALA A 78 8.735 -6.474 3.290 1.00 0.00 N ATOM 1227 CA ALA A 78 9.916 -5.632 3.217 1.00 0.00 C ATOM 1228 C ALA A 78 10.306 -5.119 4.599 1.00 0.00 C ATOM 1229 O ALA A 78 9.687 -5.468 5.603 1.00 0.00 O ATOM 1230 CB ALA A 78 9.643 -4.479 2.250 1.00 0.00 C ATOM 0 H ALA A 78 7.904 -6.051 2.876 1.00 0.00 H new ATOM 0 HA ALA A 78 10.758 -6.216 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.524 -3.840 2.188 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.414 -4.879 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.796 -3.895 2.610 1.00 0.00 H new ATOM 1236 N VAL A 79 11.346 -4.280 4.651 1.00 0.00 N ATOM 1237 CA VAL A 79 11.885 -3.731 5.888 1.00 0.00 C ATOM 1238 C VAL A 79 12.204 -2.253 5.688 1.00 0.00 C ATOM 1239 O VAL A 79 12.512 -1.824 4.575 1.00 0.00 O ATOM 1240 CB VAL A 79 13.146 -4.511 6.279 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.747 -3.980 7.582 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.825 -5.994 6.461 1.00 0.00 C ATOM 0 H VAL A 79 11.841 -3.962 3.818 1.00 0.00 H new ATOM 0 HA VAL A 79 11.153 -3.823 6.690 1.00 0.00 H new ATOM 0 HB VAL A 79 13.867 -4.382 5.472 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.639 -4.554 7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.013 -2.930 7.459 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.017 -4.077 8.385 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.732 -6.531 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.079 -6.111 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.434 -6.399 5.527 1.00 0.00 H new ATOM 1252 N LEU A 80 12.134 -1.473 6.773 1.00 0.00 N ATOM 1253 CA LEU A 80 12.416 -0.044 6.742 1.00 0.00 C ATOM 1254 C LEU A 80 13.591 0.304 7.651 1.00 0.00 C ATOM 1255 O LEU A 80 14.575 0.888 7.196 1.00 0.00 O ATOM 1256 CB LEU A 80 11.159 0.697 7.198 1.00 0.00 C ATOM 1257 CG LEU A 80 11.438 2.163 7.543 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.967 2.927 6.332 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.141 2.800 8.034 1.00 0.00 C ATOM 0 H LEU A 80 11.879 -1.822 7.697 1.00 0.00 H new ATOM 0 HA LEU A 80 12.688 0.253 5.729 1.00 0.00 H new ATOM 0 HB2 LEU A 80 10.406 0.649 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.741 0.195 8.070 1.00 0.00 H new ATOM 0 HG LEU A 80 12.202 2.207 8.319 1.00 0.00 H new ATOM 0 HD11 LEU A 80 12.155 3.964 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 12.895 2.469 5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 80 11.229 2.894 5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.321 3.845 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.386 2.740 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.788 2.271 8.919 1.00 0.00 H new ATOM 1271 N ASP A 81 13.491 -0.057 8.934 1.00 0.00 N ATOM 1272 CA ASP A 81 14.542 0.239 9.903 1.00 0.00 C ATOM 1273 C ASP A 81 14.927 -0.995 10.726 1.00 0.00 C ATOM 1274 O ASP A 81 15.814 -0.921 11.575 1.00 0.00 O ATOM 1275 CB ASP A 81 14.066 1.390 10.795 1.00 0.00 C ATOM 1276 CG ASP A 81 15.168 1.886 11.726 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.243 2.250 11.207 1.00 0.00 O ATOM 1278 OD2 ASP A 81 14.920 1.894 12.955 1.00 0.00 O ATOM 0 H ASP A 81 12.690 -0.555 9.323 1.00 0.00 H new ATOM 0 HA ASP A 81 15.447 0.537 9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.721 2.214 10.170 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.212 1.060 11.387 1.00 0.00 H new ATOM 1283 N GLY A 82 14.268 -2.129 10.475 1.00 0.00 N ATOM 1284 CA GLY A 82 14.565 -3.385 11.152 1.00 0.00 C ATOM 1285 C GLY A 82 13.303 -4.198 11.439 1.00 0.00 C ATOM 1286 O GLY A 82 13.390 -5.380 11.776 1.00 0.00 O ATOM 0 H GLY A 82 13.512 -2.198 9.794 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.244 -3.976 10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.082 -3.178 12.089 1.00 0.00 H new ATOM 1290 N ARG A 83 12.132 -3.570 11.305 1.00 0.00 N ATOM 1291 CA ARG A 83 10.841 -4.209 11.525 1.00 0.00 C ATOM 1292 C ARG A 83 10.381 -4.924 10.259 1.00 0.00 C ATOM 1293 O ARG A 83 11.191 -5.351 9.443 1.00 0.00 O ATOM 1294 CB ARG A 83 9.821 -3.161 11.985 1.00 0.00 C ATOM 1295 CG ARG A 83 9.487 -2.145 10.885 1.00 0.00 C ATOM 1296 CD ARG A 83 8.279 -1.299 11.281 1.00 0.00 C ATOM 1297 NE ARG A 83 7.095 -2.114 11.571 1.00 0.00 N ATOM 1298 CZ ARG A 83 6.495 -2.181 12.765 1.00 0.00 C ATOM 1299 NH1 ARG A 83 6.980 -1.529 13.819 1.00 0.00 N ATOM 1300 NH2 ARG A 83 5.394 -2.909 12.918 1.00 0.00 N ATOM 0 H ARG A 83 12.058 -2.589 11.036 1.00 0.00 H new ATOM 0 HA ARG A 83 10.934 -4.961 12.309 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.907 -3.663 12.302 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.213 -2.634 12.855 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.347 -1.499 10.706 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.281 -2.667 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 83 8.529 -0.702 12.158 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.048 -0.602 10.476 1.00 0.00 H new ATOM 0 HE ARG A 83 6.702 -2.668 10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.825 -0.965 13.725 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.507 -1.593 14.720 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.005 -3.418 12.124 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.938 -2.959 13.829 1.00 0.00 H new ATOM 1314 N GLU A 84 9.064 -5.038 10.109 1.00 0.00 N ATOM 1315 CA GLU A 84 8.440 -5.606 8.928 1.00 0.00 C ATOM 1316 C GLU A 84 7.484 -4.582 8.329 1.00 0.00 C ATOM 1317 O GLU A 84 7.008 -3.689 9.027 1.00 0.00 O ATOM 1318 CB GLU A 84 7.671 -6.873 9.308 1.00 0.00 C ATOM 1319 CG GLU A 84 8.618 -8.021 9.633 1.00 0.00 C ATOM 1320 CD GLU A 84 7.846 -9.289 9.997 1.00 0.00 C ATOM 1321 OE1 GLU A 84 6.827 -9.560 9.324 1.00 0.00 O ATOM 1322 OE2 GLU A 84 8.279 -9.981 10.947 1.00 0.00 O ATOM 0 H GLU A 84 8.396 -4.733 10.816 1.00 0.00 H new ATOM 0 HA GLU A 84 9.206 -5.863 8.196 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.034 -6.670 10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.015 -7.162 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.262 -8.218 8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.267 -7.737 10.461 1.00 0.00 H new ATOM 1329 N LEU A 85 7.208 -4.719 7.031 1.00 0.00 N ATOM 1330 CA LEU A 85 6.311 -3.843 6.298 1.00 0.00 C ATOM 1331 C LEU A 85 5.238 -4.711 5.649 1.00 0.00 C ATOM 1332 O LEU A 85 5.501 -5.865 5.310 1.00 0.00 O ATOM 1333 CB LEU A 85 7.100 -3.071 5.239 1.00 0.00 C ATOM 1334 CG LEU A 85 8.172 -2.141 5.816 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.874 -1.436 4.658 1.00 0.00 C ATOM 1336 CD2 LEU A 85 7.573 -1.083 6.743 1.00 0.00 C ATOM 0 H LEU A 85 7.612 -5.457 6.455 1.00 0.00 H new ATOM 0 HA LEU A 85 5.844 -3.118 6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.576 -3.783 4.565 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.405 -2.481 4.641 1.00 0.00 H new ATOM 0 HG LEU A 85 8.868 -2.744 6.399 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.642 -0.769 5.050 1.00 0.00 H new ATOM 0 HD12 LEU A 85 9.336 -2.178 4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 85 8.146 -0.857 4.089 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.368 -0.446 7.129 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.858 -0.475 6.188 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.065 -1.573 7.574 1.00 0.00 H new ATOM 1348 N ARG A 86 4.031 -4.170 5.471 1.00 0.00 N ATOM 1349 CA ARG A 86 2.903 -4.975 5.020 1.00 0.00 C ATOM 1350 C ARG A 86 2.005 -4.202 4.071 1.00 0.00 C ATOM 1351 O ARG A 86 1.850 -2.987 4.176 1.00 0.00 O ATOM 1352 CB ARG A 86 2.097 -5.437 6.241 1.00 0.00 C ATOM 1353 CG ARG A 86 2.845 -6.498 7.057 1.00 0.00 C ATOM 1354 CD ARG A 86 3.099 -7.771 6.245 1.00 0.00 C ATOM 1355 NE ARG A 86 4.036 -8.659 6.937 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.647 -9.690 6.350 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.402 -9.991 5.073 1.00 0.00 N ATOM 1358 NH2 ARG A 86 5.514 -10.430 7.037 1.00 0.00 N ATOM 0 H ARG A 86 3.814 -3.186 5.632 1.00 0.00 H new ATOM 0 HA ARG A 86 3.291 -5.836 4.476 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.878 -4.579 6.877 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.140 -5.842 5.911 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.796 -6.089 7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.267 -6.745 7.947 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.157 -8.292 6.076 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.498 -7.508 5.266 1.00 0.00 H new ATOM 0 HE ARG A 86 4.232 -8.479 7.922 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.741 -9.430 4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.875 -10.782 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.712 -10.209 8.013 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.981 -11.218 6.588 1.00 0.00 H new ATOM 1372 N VAL A 87 1.415 -4.946 3.133 1.00 0.00 N ATOM 1373 CA VAL A 87 0.512 -4.425 2.125 1.00 0.00 C ATOM 1374 C VAL A 87 -0.239 -5.602 1.501 1.00 0.00 C ATOM 1375 O VAL A 87 0.372 -6.586 1.088 1.00 0.00 O ATOM 1376 CB VAL A 87 1.307 -3.634 1.082 1.00 0.00 C ATOM 1377 CG1 VAL A 87 2.543 -4.397 0.618 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.450 -3.319 -0.136 1.00 0.00 C ATOM 0 H VAL A 87 1.561 -5.953 3.058 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.214 -3.741 2.565 1.00 0.00 H new ATOM 0 HB VAL A 87 1.617 -2.708 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.081 -3.803 -0.121 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.193 -4.590 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.240 -5.344 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.040 -2.757 -0.860 1.00 0.00 H new ATOM 0 HG22 VAL A 87 0.108 -4.249 -0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.412 -2.725 0.169 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.568 -5.506 1.431 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.409 -6.555 0.864 1.00 0.00 C ATOM 1390 C GLN A 88 -3.813 -6.010 0.592 1.00 0.00 C ATOM 1391 O GLN A 88 -4.156 -4.918 1.039 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.486 -7.756 1.818 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.041 -7.394 3.200 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.033 -6.637 4.058 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.896 -7.066 4.230 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.440 -5.498 4.608 1.00 0.00 N ATOM 0 H GLN A 88 -2.090 -4.696 1.767 1.00 0.00 H new ATOM 0 HA GLN A 88 -1.967 -6.886 -0.076 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.114 -8.527 1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.490 -8.184 1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.938 -6.787 3.079 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.340 -8.306 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.391 -5.165 4.448 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.802 -4.956 5.190 1.00 0.00 H new ATOM 1405 N MET A 89 -4.632 -6.774 -0.139 1.00 0.00 N ATOM 1406 CA MET A 89 -5.982 -6.354 -0.485 1.00 0.00 C ATOM 1407 C MET A 89 -6.830 -6.169 0.772 1.00 0.00 C ATOM 1408 O MET A 89 -6.620 -6.837 1.784 1.00 0.00 O ATOM 1409 CB MET A 89 -6.618 -7.369 -1.435 1.00 0.00 C ATOM 1410 CG MET A 89 -6.007 -7.252 -2.835 1.00 0.00 C ATOM 1411 SD MET A 89 -4.255 -7.706 -2.968 1.00 0.00 S ATOM 1412 CE MET A 89 -3.916 -7.079 -4.637 1.00 0.00 C ATOM 0 H MET A 89 -4.375 -7.692 -0.502 1.00 0.00 H new ATOM 0 HA MET A 89 -5.931 -5.391 -0.994 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.470 -8.378 -1.050 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.694 -7.203 -1.487 1.00 0.00 H new ATOM 0 HG2 MET A 89 -6.580 -7.882 -3.515 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.124 -6.224 -3.178 1.00 0.00 H new ATOM 0 HE1 MET A 89 -2.904 -6.676 -4.676 1.00 0.00 H new ATOM 0 HE2 MET A 89 -4.011 -7.892 -5.357 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.629 -6.292 -4.882 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.793 -5.248 0.700 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.643 -4.916 1.832 1.00 0.00 C ATOM 1424 C ALA A 90 -9.677 -6.009 2.111 1.00 0.00 C ATOM 1425 O ALA A 90 -9.754 -7.005 1.394 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.336 -3.581 1.559 1.00 0.00 C ATOM 0 H ALA A 90 -8.001 -4.716 -0.145 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.018 -4.836 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -9.976 -3.324 2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.585 -2.803 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.942 -3.663 0.656 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.480 -5.811 3.166 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.538 -6.739 3.569 1.00 0.00 C ATOM 1434 C ARG A 91 -12.888 -6.032 3.675 1.00 0.00 C ATOM 1435 O ARG A 91 -13.918 -6.691 3.816 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.190 -7.350 4.922 1.00 0.00 C ATOM 1437 CG ARG A 91 -9.882 -8.141 4.882 1.00 0.00 C ATOM 1438 CD ARG A 91 -9.516 -8.609 6.292 1.00 0.00 C ATOM 1439 NE ARG A 91 -10.536 -9.506 6.848 1.00 0.00 N ATOM 1440 CZ ARG A 91 -10.641 -9.816 8.143 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -9.791 -9.314 9.036 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -11.606 -10.634 8.553 1.00 0.00 N ATOM 0 H ARG A 91 -10.410 -4.991 3.769 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.613 -7.516 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.110 -6.558 5.666 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -12.000 -8.007 5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.986 -9.000 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -9.083 -7.520 4.476 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.555 -9.122 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.398 -7.743 6.944 1.00 0.00 H new ATOM 0 HE ARG A 91 -11.209 -9.920 6.203 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.048 -8.684 8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.883 -9.559 10.022 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -12.265 -11.024 7.879 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.687 -10.872 9.542 1.00 0.00 H new ATOM 1456 N TYR A 92 -12.882 -4.698 3.608 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.068 -3.869 3.756 1.00 0.00 C ATOM 1458 C TYR A 92 -13.888 -2.574 2.969 1.00 0.00 C ATOM 1459 O TYR A 92 -12.844 -2.357 2.358 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.272 -3.533 5.240 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.337 -4.733 6.159 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.514 -5.494 6.248 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.216 -5.090 6.922 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.572 -6.611 7.093 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -13.264 -6.206 7.772 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.442 -6.972 7.856 1.00 0.00 C ATOM 1467 OH TYR A 92 -14.488 -8.063 8.675 1.00 0.00 O ATOM 0 H TYR A 92 -12.032 -4.159 3.446 1.00 0.00 H new ATOM 0 HA TYR A 92 -14.936 -4.409 3.377 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.458 -2.886 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.194 -2.962 5.345 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.378 -5.217 5.663 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.312 -4.504 6.855 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.479 -7.193 7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.399 -6.476 8.360 1.00 0.00 H new ATOM 0 HH TYR A 92 -13.625 -8.170 9.126 1.00 0.00 H new ATOM 1477 N GLY A 93 -14.905 -1.708 2.986 1.00 0.00 N ATOM 1478 CA GLY A 93 -14.811 -0.392 2.372 1.00 0.00 C ATOM 1479 C GLY A 93 -14.626 0.665 3.454 1.00 0.00 C ATOM 1480 O GLY A 93 -13.769 1.537 3.317 1.00 0.00 O ATOM 0 H GLY A 93 -15.806 -1.902 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -13.973 -0.364 1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -15.712 -0.183 1.796 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.428 0.577 4.526 1.00 0.00 N ATOM 1485 CA ARG A 94 -15.355 1.401 5.718 1.00 0.00 C ATOM 1486 C ARG A 94 -16.076 0.655 6.847 1.00 0.00 C ATOM 1487 O ARG A 94 -16.972 -0.145 6.586 1.00 0.00 O ATOM 1488 CB ARG A 94 -16.039 2.758 5.510 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.282 3.612 4.500 1.00 0.00 C ATOM 1490 CD ARG A 94 -15.833 5.027 4.437 1.00 0.00 C ATOM 1491 NE ARG A 94 -15.564 5.791 5.655 1.00 0.00 N ATOM 1492 CZ ARG A 94 -16.033 7.015 5.898 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -16.820 7.630 5.021 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -15.716 7.633 7.030 1.00 0.00 N ATOM 0 H ARG A 94 -16.180 -0.110 4.576 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.308 1.585 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -17.061 2.603 5.164 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -16.101 3.286 6.462 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -14.226 3.644 4.769 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -15.346 3.152 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -15.396 5.545 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.909 4.987 4.268 1.00 0.00 H new ATOM 0 HE ARG A 94 -14.977 5.357 6.368 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -17.072 7.165 4.149 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -17.172 8.567 5.220 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.114 7.171 7.712 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.074 8.570 7.217 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.686 0.921 8.097 1.00 0.00 N ATOM 1509 CA PRO A 95 -16.329 0.420 9.299 1.00 0.00 C ATOM 1510 C PRO A 95 -17.839 0.687 9.298 1.00 0.00 C ATOM 1511 O PRO A 95 -18.298 1.631 8.655 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.659 1.174 10.447 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.296 1.594 9.891 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.552 1.757 8.402 1.00 0.00 C ATOM 0 HA PRO A 95 -16.218 -0.661 9.381 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -16.248 2.040 10.749 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.550 0.540 11.327 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.948 2.523 10.342 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.534 0.840 10.087 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.758 2.798 8.154 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.680 1.457 7.822 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.623 -0.128 10.015 1.00 0.00 N ATOM 1523 CA PRO A 96 -20.053 0.089 10.182 1.00 0.00 C ATOM 1524 C PRO A 96 -20.309 1.238 11.152 1.00 0.00 C ATOM 1525 O PRO A 96 -21.369 1.860 11.114 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.578 -1.231 10.749 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.391 -1.763 11.553 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.187 -1.311 10.730 1.00 0.00 C ATOM 0 HA PRO A 96 -20.546 0.360 9.248 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.455 -1.078 11.379 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.870 -1.921 9.958 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.369 -1.349 12.561 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.426 -2.848 11.654 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.335 -1.089 11.372 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.870 -2.092 10.039 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.329 1.519 12.017 1.00 0.00 N ATOM 1537 CA ASP A 97 -19.341 2.611 12.981 1.00 0.00 C ATOM 1538 C ASP A 97 -17.892 2.997 13.259 1.00 0.00 C ATOM 1539 O ASP A 97 -16.991 2.193 13.022 1.00 0.00 O ATOM 1540 CB ASP A 97 -20.009 2.155 14.282 1.00 0.00 C ATOM 1541 CG ASP A 97 -21.506 1.916 14.117 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -22.241 2.927 14.020 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -21.908 0.730 14.094 1.00 0.00 O ATOM 0 H ASP A 97 -18.473 0.966 12.062 1.00 0.00 H new ATOM 0 HA ASP A 97 -19.899 3.460 12.586 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -19.534 1.237 14.628 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -19.847 2.908 15.053 1.00 0.00 H new ATOM 1548 N SER A 98 -17.652 4.211 13.766 1.00 0.00 N ATOM 1549 CA SER A 98 -16.295 4.712 13.959 1.00 0.00 C ATOM 1550 C SER A 98 -15.445 3.744 14.782 1.00 0.00 C ATOM 1551 O SER A 98 -14.305 3.466 14.419 1.00 0.00 O ATOM 1552 CB SER A 98 -16.341 6.077 14.647 1.00 0.00 C ATOM 1553 OG SER A 98 -17.119 6.978 13.885 1.00 0.00 O ATOM 0 H SER A 98 -18.384 4.863 14.049 1.00 0.00 H new ATOM 0 HA SER A 98 -15.832 4.808 12.977 1.00 0.00 H new ATOM 0 HB2 SER A 98 -16.763 5.975 15.647 1.00 0.00 H new ATOM 0 HB3 SER A 98 -15.330 6.467 14.766 1.00 0.00 H new ATOM 0 HG SER A 98 -17.144 7.849 14.334 1.00 0.00 H new